SCHEMBL8345598

SCHEMBL8345598

CC1(C)CCC(C)(C)c2cc(C(=NOCc3ccccc3)C(=O)Nc3ccccc3C(=O)O)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.45
RARG P13631 7/20 0.45
RARA P10276 5/20 0.45
RXRA P19793 11/20 0.44
RXRG P48443 8/20 0.44
RXRB P28702 8/20 0.44
HNF4A P41235 1/20 0.44
CYP26A1 O43174 6/20 0.43
CYP3A4 P08684 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
CYP26B1 Q9NR63 3/20 0.42
PGR P06401 1/20 0.41
ADORA3 P0DMS8 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8555708 0.90 RXRA (0.52) RARBRARGRARARXRARXRG
SCHEMBL8556718 0.89 RXRA (0.55) RARBRARGRARARXRARXRG
SCHEMBL8555445 0.87 RXRA (0.52) RARBRXRARXRGRXRBHNF4A
SCHEMBL8557640 0.87 RXRA (0.52) RARBRXRARXRGRXRBHNF4A
SCHEMBL8555502 0.87 RXRA (0.52) RARBRXRARXRGRXRBHNF4A
SCHEMBL8556422 0.87 RXRA (0.52) RARBRXRARXRGRXRBHNF4A
SCHEMBL7876784 0.87 RARB (0.57) RARBRARGRARARXRARXRG
SCHEMBL7876787 0.87 RARB (0.57) RARBRARGRARARXRARXRG
SCHEMBL8346574 0.86 RXRA (0.41) RARBRARGRARARXRARXRG
SCHEMBL8559124 0.86 HNF4A (0.48) RARBRARGRARARXRARXRG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5935585-A Biaromatic amido compounds and pharmaceutical/cosmetic compositions comprised thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1999-08-10 US claimed
US-5935585-A Biaromatic amido compounds and pharmaceutical/cosmetic compositions comprised thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1999-08-10 US disclosed